General Information of the Compound
| Compound ID |
CP0848972
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| Compound Name |
2-Methyl-6-(4-methylpiperazin-1-yl)-8-(o-tolyl)-9-tetrahydropyran-4-yl-purine Hydrochloride
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| Structure |
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| Formula |
C23H31ClN6O
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| Molecular Weight |
442.995
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| Canonical SMILES |
Cc1nc(N2CCN(C)CC2)c2nc(-c3ccccc3C)n(C3CCOCC3)c2n1.Cl
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| InChI |
InChI=1S/C23H30N6O.ClH/c1-16-6-4-5-7-19(16)21-26-20-22(28-12-10-27(3)11-13-28)24-17(2)25-23(20)29(21)18-8-14-30-15-9-18;/h4-7,18H,8-15H2,1-3H3;1H
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| InChIKey |
BTSFJHJCROCBRV-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01298, Cannabinoid receptor 1
Protein ID: PT00834, Cannabinoid receptor 2
Protein ID: PT02333, Cannabinoid receptor 2